32210-23-4

Basic information

• Product Name: 4-tert-Butylcyclohexyl acetate
• Synonyms: (4-tert-Butylcyclohexyl)acetate,c&t;4-(1,1-dimethylethyl)-cyclohexanoacetate;4-butylcyclohexylacetate;4-t-Butylcyclohexyl acetate;4-t-Butylcyclohexylacetate;4-tert-butyl-cyclohexanoacetate;4-tert-butylcyclohexylacetate,mixtureofc;4-tert-Butylhexahydrophenyl acetate
• CAS NO: 32210-23-4
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.3
• EINECS: 250-954-9
• Product Categories: Pharmaceutical Raw Materials;C12 to C63;Carbonyl Compounds;Esters;A-B;Alphabetical Listings;Flavors and Fragrances
• Mol File: 32210-23-4.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 228-230 °C25 mm Hg(lit.)
• Flash Point: 212 °F
• Appearance: /
• Density: 0.934 g/mL at 25 °C(lit.)
• Vapor Pressure: 7.9Pa at 25℃
• Refractive Index: n20/D 1.452(lit.)
• Storage Temp.: Store below +30°C.
• Solubility: <0.0396g/l insoluble
• Water Solubility: 39.6mg/L at 20℃
• Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
• CAS DataBase Reference: 4-tert-Butylcyclohexyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-Butylcyclohexyl acetate(32210-23-4)
• EPA Substance Registry System: 4-tert-Butylcyclohexyl acetate(32210-23-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 2
• RTECS: AF7117000
• Hazardous Substances Data: 32210-23-4(Hazardous Substances Data)

Usage

Chemical Properties

4-tert-Butylcyclohexyl acetate exists in cis and trans forms.The trans-isomer has a rich, woody odor, while the odor of the cis-isomer is more intense and more floral. Considerable variations in cis–trans ratios in commercial mixtures have little effect on the physical constants. Therefore, the composition of mixtures should be determined by gas chromatography. The ester is prepared by catalytic hydrogenation of 4-tert-butylphenol followed by acetylation of the resulting 4-tert-butylcyclohexanol [291]. If Raney nickel is used as the catalyst, a high percentage of the trans-isomer is obtained. A rhodium–carbon catalyst yields a high percentage of the cis-isomer. The trans alcohol can be isomerized by alkaline catalysts; the cis-alcohol with a lower boiling point is then removed continuously fromthe mixture by distillation. 4-tert-Butylcyclohexyl acetate is used particularly in soap perfumes.

Uses

4-tert-Butylcyclohexyl acetate may be used in the preparation of high loading fragrance encapsulation based on polymer-blend of ethylcellulose, hydroxypropyl methylcellulose and poly(vinyl alcohol).

General Description

4-tert-Butylcyclohexyl acetate has been evaluated as a fragrance ingredient and its toxicologic and dermatological analysis has been reported. Cis and trans forms of 4-tert-butylcyclohexyl acetate are widely used as a perfume for cosmetics including soaps.

Flammability and Explosibility

Notclassified

Trade name

Lorysia? (Firmenich), Vertenex? (IFF).

InChI:InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3

Upstream product

• 108-95-2 phenol 
• 108-24-7 acetic anhydride 
• 167489-85-2 (4-tert-butyl-cyclohexyloxy)-trimethyl-silane 
• 80356-16-7 2-(4-tert-Butyl-cyclohexyloxy)-tetrahydro-pyran 
• 92976-55-1 1-tert-butyldimethylsilyloxy-4-tert-butylcyclohexane 
• 108-22-5 Isopropenyl acetate 
• 98-53-3 4-tercbutyl-cyclohexanone 
• 98-52-2 4-(1,1-dimethylethyl)-cyclohexanol 

Downstream Products

• 98-52-2 4-(1,1-dimethylethyl)-cyclohexanol 

Relevant articles and documents

Production method of iris ester synthetic essence

The invention discloses a production method of an iris ester synthetic essence, which relates to the technical field of fine chemical production. The phenol and tert-butyl alcohol are taken as initialraw materials for an alkylation reaction, after hydrogenation, the materials and acetic anhydride are subjected to an acetylation reaction to generate iris ester, the raw materials are easily available, and yield is high; petroleum ether is taken as an organic solvent of the alkylation reaction and a hydrogenation reaction, the disadvantages that the reaction is incomplete during a hydrogenationprocess and a catalyst is inactivated after application can be overcome, and a distillation technology step employed in the alkylation reaction by employing dichloroethane as a solvent is simultaneously omitted; a boiling point of petroleum ether is low, and the petroleum ether is easily recovered and applied, so that environment pollution due to discharge of the organic solvent in waste water canbe avoided, and production cost is reduced.

PROCESS FOR THE PREPARATION OF 4-TERT.-BUTYLCYCLOHEXYL ACETATE

4-tert.-Butylcyclohexyl acetate having a cis-4-tert.-butylcyclohexyl acetate content of at least 90 %, containing 50 ppm or less of acetic acid, and having a freezing point of -35 DEG C or higher, a process for the preparation of the same and a perfume composition comprising the same are provided. 4-tert.-Butylcyclohexyl acetate of the present invention and a perfume composition comprising the same have attractive woody and fruity perfume, and are preferably used as a perfume.

One-step conversion of silyl/THP ethers into the corresponding acetates

A variety of silyl and THP ethers were directly converted into the corresponding acetates using acetic anhydride in the presence of a catalytic amount of Cu(OTf)2 in CH2Cl2. It was observed that MEM ethers could also be cl